Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 13/20 | 0.72 |
| ▸ | HTR2A | P28223 | 12/20 | 0.72 |
| ▸ | HTR2C | P28335 | 5/20 | 0.72 |
| ▸ | HTR7 | P34969 | 5/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.72 |
| ▸ | ACHE | P22303 | 3/20 | 0.72 |
| ▸ | HTR6 | P50406 | 3/20 | 0.72 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.72 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.72 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.72 |
| ▸ | DRD1 | P21728 | 2/20 | 0.72 |
| ▸ | DRD4 | P21917 | 2/20 | 0.72 |
| ▸ | DRD5 | P21918 | 2/20 | 0.72 |
| ▸ | HTR1D | P28221 | 2/20 | 0.72 |
| ▸ | HTR1B | P28222 | 2/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.72 |
| ▸ | HRH1 | P35367 | 2/20 | 0.72 |
| ▸ | DRD3 | P35462 | 2/20 | 0.72 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.72 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.72 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7323722 | 0.95 | DRD2 (0.75) | DRD2HTR2AHTR2CHTR7KCNH2 | |
| SCHEMBL7294274 | 0.88 | DRD2 (0.57) | DRD2HTR2AHTR2CHTR7KCNH2 | |
| SCHEMBL7697170 | 0.86 | DRD2 (0.53) | DRD2HTR2AHTR2CHTR7KCNH2 | |
| SCHEMBL9199749 | 0.86 | HTR2A (0.67) | DRD2HTR2AHTR2CHTR7KCNH2 | |
| SCHEMBL3146202 | 0.85 | DRD2 (0.77) | DRD2HTR2AHTR2CHTR7KCNH2 | |
| SCHEMBL9594506 | 0.85 | DRD2 (0.74) | DRD2HTR2AHTR2CHTR7KCNH2 | |
| SCHEMBL16263410 | 0.85 | DRD2 (0.73) | DRD2HTR2AHTR2CHTR7KCNH2 | |
| SCHEMBL4635315 | 0.85 | DRD2 (0.71) | DRD2HTR2AHTR2CHTR7KCNH2 | |
| SCHEMBL9492109 | 0.84 | DRD2 (0.51) | DRD2HTR2AHTR2CHTR7KCNH2 | |
| SCHEMBL9202999 | 0.84 | DRD2 (0.51) | DRD2HTR2AHTR2CHTR7KCNH2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0196132-B1 | 1,2-BENZISOXAZOL-3-YL AND 1,2-BENZISOTHIAZOL-3-YL DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-08-12 | — | — | EP | disclosed |
| US-4804663-A | PSYCHOLOGICAL DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-02-14 | — | — | US | disclosed |
| EP-0196132-A2 | 1,2-Benzisoxazol-3-yl and 1,2-benzisothiazol-3-yl derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-10-01 | — | — | EP | disclosed |